Molecule

ID:135928

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₄O₂
Molecular Mass
131.06742451
Exact Mass
131.0434899
Charge
0
InChI
InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKey
YSKUZVBSHIWEFK-VMIGTVKRSA-N
Canonic Smiles
N[13c]1n[13c](=O)[nH][13c](=O)[nH]1
Isomeric Smiles
[13c]1([nH][13c](=O)[nH][13c](=O)n1)N
Calculated Properties
JChem
Acid pKa
7.179723
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.4259701
LogD (pH = 7.4)
-1.8339264
Log P
-1.4170868
Molar Refractivity
26.707
Polarizability
10.076075
Polar Surface Area
96.58
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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